6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

C21H24F4N4O3 — CID 67961732

IUPAC6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc(CCN2c3nc(N4CCOCC4)c(F)c(=O)n3CC2(C)C(F)(F)F)cc1
InChIInChI=1S/C21H24F4N4O3/c1-20(21(23,24)25)13-28-18(30)16(22)17(27-9-11-32-12-10-27)26-19(28)29(20)8-7-14-3-5-15(31-2)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyQWWPQQYCHRJNFL-UHFFFAOYSA-N
MW456.44 g/mol
LogP2.61
Rot. Bonds5

About 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 67961732) has the molecular formula C21H24F4N4O3 and a molecular weight of 456.44 g/mol. Its IUPAC name is 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID67961732
Molecular FormulaC21H24F4N4O3
Molecular Weight456.44 g/mol
Exact Mass456.18
IUPAC Name6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc(CCN2c3nc(N4CCOCC4)c(F)c(=O)n3CC2(C)C(F)(F)F)cc1
InChIInChI=1S/C21H24F4N4O3/c1-20(21(23,24)25)13-28-18(30)16(22)17(27-9-11-32-12-10-27)26-19(28)29(20)8-7-14-3-5-15(31-2)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyQWWPQQYCHRJNFL-UHFFFAOYSA-N
XLogP2.61
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-7-morpholin-4-yl-1-(2-phenylethyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775104
2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775684
(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 50899803
1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775780
1-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-methyl-7-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 118194527
(2S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67777177
(2S)-1-[2-(4-aminophenyl)ethyl]-2-methyl-7-[(1S)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 162616281
(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775692
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 154005237
4-[5-chloro-3,6-difluoro-4-(4-methoxyphenoxy)-2-pyridinyl]morpholine
CID 1353718

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 67961732) is 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is COc1ccc(CCN2c3nc(N4CCOCC4)c(F)c(=O)n3CC2(C)C(F)(F)F)cc1.
What is the InChIKey of 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QWWPQQYCHRJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N4O3/c1-20(21(23,24)25)13-28-18(30)16(22)17(27-9-11-32-12-10-27)26-19(28)29(20)8-7-14-3-5-15(31-2)6-4-14/h3-6H,7-13H2,1-2H3.
What are the key properties of 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 456.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 67961732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).